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fix miscellaneous bugs and update the data structure of electric potential

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This commit is contained in:
Rex Zhe Li
2020-08-28 11:15:55 -04:00
parent 59ffd7bfd6
commit aa26fcafda
12 changed files with 1027 additions and 206 deletions
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350
cpu/Poisson.cpp
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@@ -1,19 +1,110 @@
extern "C" void ScaLBL_D3Q7_AAodd_Poisson(int *neighborList, double *dist, double *Den_charge, double *Psi, double *ElectricField, double tau, double epsilon_LB,double gamma,
int start, int finish, int Np){
extern "C" void ScaLBL_D3Q7_AAodd_Poisson_ElectricPotential(int *neighborList,int *Map, double *dist, double *Psi, int start, int finish, int Np){
int n;
double psi;//electric potential
double Ex,Ey,Ez;//electrical field
double fq;
int nread;
int idx;
for (n=start; n<finish; n++){
// q=0
fq = dist[n];
psi = fq;
// q=1
nread = neighborList[n];
fq = dist[nread];
psi += fq;
// q=2
nread = neighborList[n+Np];
fq = dist[nread];
psi += fq;
// q=3
nread = neighborList[n+2*Np];
fq = dist[nread];
psi += fq;
// q = 4
nread = neighborList[n+3*Np];
fq = dist[nread];
psi += fq;
// q=5
nread = neighborList[n+4*Np];
fq = dist[nread];
psi += fq;
// q = 6
nread = neighborList[n+5*Np];
fq = dist[nread];
psi += fq;
idx=Map[n];
Psi[idx] = psi;
}
}
extern "C" void ScaLBL_D3Q7_AAeven_Poisson_ElectricPotential(int *Map, double *dist, double *Psi, int start, int finish, int Np){
int n;
double psi;//electric potential
double fq;
int idx;
for (n=start; n<finish; n++){
// q=0
fq = dist[n];
psi = fq;
// q=1
fq = dist[2*Np+n];
psi += fq;
// q=2
fq = dist[1*Np+n];
psi += fq;
// q=3
fq = dist[4*Np+n];
psi += fq;
// q=4
fq = dist[3*Np+n];
psi += fq;
// q=5
fq = dist[6*Np+n];
psi += fq;
// q=6
fq = dist[5*Np+n];
psi += fq;
idx=Map[n];
Psi[idx] = psi;
}
}
extern "C" void ScaLBL_D3Q7_AAodd_Poisson(int *neighborList, int *Map, double *dist, double *Den_charge, double *Psi, double *ElectricField, double tau, double epsilon_LB,double gamma,int start, int finish, int Np){
int n;
double psi;//electric potential
double Ex,Ey,Ez;//electric field
double rho_e;//local charge density
double f0,f1,f2,f3,f4,f5,f6;
int nr1,nr2,nr3,nr4,nr5,nr6;
double rlx=1.0/tau;
int idx;
for (n=start; n<finish; n++){
//Load data
rho_e = Den_charge[n];
rho_e = gamma*rho_e/epsilon_LB;
idx=Map[n];
psi = Psi[idx];
// q=0
f0 = dist[n];
@@ -40,53 +131,63 @@ extern "C" void ScaLBL_D3Q7_AAodd_Poisson(int *neighborList, double *dist, doubl
nr6 = neighborList[n+5*Np];
f6 = dist[nr6];
psi = f0+f2+f1+f4+f3+f6+f5;
Ex = (f1-f2)*rlx*4.5;//NOTE the unit of electric field here is V/lu
Ey = (f3-f4)*rlx*4.5;
Ez = (f5-f6)*rlx*4.5;
ElectricField[n+0*Np] = Ex;
ElectricField[n+1*Np] = Ey;
ElectricField[n+2*Np] = Ez;
Psi[n] = psi;
//Ex = (f1-f2)*rlx*4.5;//NOTE the unit of electric field here is V/lu
//Ey = (f3-f4)*rlx*4.5;
//Ez = (f5-f6)*rlx*4.5;
//Ex = (f1-f2)*rlx*4.0;//NOTE the unit of electric field here is V/lu
//Ey = (f3-f4)*rlx*4.0;
//Ez = (f5-f6)*rlx*4.0;
//ElectricField[n+0*Np] = Ex;
//ElectricField[n+1*Np] = Ey;
//ElectricField[n+2*Np] = Ez;
// q = 0
dist[n] = f0*(1.0-rlx) + 0.3333333333333333*(rlx*psi+rho_e);
//dist[n] = f0*(1.0-rlx) + 0.3333333333333333*(rlx*psi+rho_e);
dist[n] = f0*(1.0-rlx) + 0.25*(rlx*psi+rho_e);
// q = 1
dist[nr2] = f1*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[nr2] = f1*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[nr2] = f1*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 2
dist[nr1] = f2*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[nr1] = f2*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[nr1] = f2*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 3
dist[nr4] = f3*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[nr4] = f3*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[nr4] = f3*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 4
dist[nr3] = f4*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[nr3] = f4*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[nr3] = f4*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 5
dist[nr6] = f5*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[nr6] = f5*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[nr6] = f5*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 6
dist[nr5] = f6*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[nr5] = f6*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[nr5] = f6*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
//........................................................................
}
}
extern "C" void ScaLBL_D3Q7_AAeven_Poisson(double *dist, double *Den_charge, double *Psi, double *ElectricField, double tau, double epsilon_LB,double gamma,
int start, int finish, int Np){
extern "C" void ScaLBL_D3Q7_AAeven_Poisson(int *Map, double *dist, double *Den_charge, double *Psi, double *ElectricField, double tau, double epsilon_LB,double gamma,int start, int finish, int Np){
int n;
double psi;//electric potential
double Ex,Ey,Ez;//electrical field
double Ex,Ey,Ez;//electric field
double rho_e;//local charge density
double f0,f1,f2,f3,f4,f5,f6;
double rlx=1.0/tau;
int idx;
for (n=start; n<finish; n++){
//Load data
rho_e = Den_charge[n];
rho_e = gamma*rho_e/epsilon_LB;
idx=Map[n];
psi = Psi[idx];
f0 = dist[n];
f1 = dist[2*Np+n];
@@ -97,49 +198,208 @@ extern "C" void ScaLBL_D3Q7_AAeven_Poisson(double *dist, double *Den_charge, dou
f6 = dist[5*Np+n];
psi = f0+f2+f1+f4+f3+f6+f5;
Ex = (f1-f2)*rlx*4.5;//NOTE the unit of electric field here is V/lu
Ey = (f3-f4)*rlx*4.5;
Ez = (f5-f6)*rlx*4.5;
ElectricField[n+0*Np] = Ex;
ElectricField[n+1*Np] = Ey;
ElectricField[n+2*Np] = Ez;
Psi[n] = psi;
//Ex = (f1-f2)*rlx*4.5;//NOTE the unit of electric field here is V/lu
//Ey = (f3-f4)*rlx*4.5;
//Ez = (f5-f6)*rlx*4.5;
//Ex = (f1-f2)*rlx*4.0;//NOTE the unit of electric field here is V/lu
//Ey = (f3-f4)*rlx*4.0;
//Ez = (f5-f6)*rlx*4.0;
//ElectricField[n+0*Np] = Ex;
//ElectricField[n+1*Np] = Ey;
//ElectricField[n+2*Np] = Ez;
// q = 0
dist[n] = f0*(1.0-rlx) + 0.3333333333333333*(rlx*psi+rho_e);
//dist[n] = f0*(1.0-rlx) + 0.3333333333333333*(rlx*psi+rho_e);
dist[n] = f0*(1.0-rlx) + 0.25*(rlx*psi+rho_e);
// q = 1
dist[1*Np+n] = f1*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[1*Np+n] = f1*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[1*Np+n] = f1*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 2
dist[2*Np+n] = f2*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[2*Np+n] = f2*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[2*Np+n] = f2*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 3
dist[3*Np+n] = f3*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[3*Np+n] = f3*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[3*Np+n] = f3*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 4
dist[4*Np+n] = f4*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[4*Np+n] = f4*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[4*Np+n] = f4*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 5
dist[5*Np+n] = f5*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[5*Np+n] = f5*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[5*Np+n] = f5*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
// q = 6
dist[6*Np+n] = f6*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
//dist[6*Np+n] = f6*(1.0-rlx) + 0.1111111111111111*(rlx*psi+rho_e);
dist[6*Np+n] = f6*(1.0-rlx) + 0.125*(rlx*psi+rho_e);
//........................................................................
}
}
extern "C" void ScaLBL_D3Q7_Poisson_Init(double *dist, int Np)
extern "C" void ScaLBL_D3Q7_Poisson_Init(int *Map, double *dist, double *Psi, int start, int finish, int Np)
{
int n;
for (n=0; n<Np; n++){
dist[0*Np+n] = 0.3333333333333333;
dist[1*Np+n] = 0.1111111111111111;
dist[2*Np+n] = 0.1111111111111111;
dist[3*Np+n] = 0.1111111111111111;
dist[4*Np+n] = 0.1111111111111111;
dist[5*Np+n] = 0.1111111111111111;
dist[6*Np+n] = 0.1111111111111111;
int ijk;
for (n=start; n<finish; n++){
ijk = Map[n];
//dist[0*Np+n] = 0.3333333333333333*Psi[n];
//dist[1*Np+n] = 0.1111111111111111*Psi[n];
//dist[2*Np+n] = 0.1111111111111111*Psi[n];
//dist[3*Np+n] = 0.1111111111111111*Psi[n];
//dist[4*Np+n] = 0.1111111111111111*Psi[n];
//dist[5*Np+n] = 0.1111111111111111*Psi[n];
//dist[6*Np+n] = 0.1111111111111111*Psi[n];
//dist[0*Np+n] = 0.25*Psi[n];
//dist[1*Np+n] = 0.125*Psi[n];
//dist[2*Np+n] = 0.125*Psi[n];
//dist[3*Np+n] = 0.125*Psi[n];
//dist[4*Np+n] = 0.125*Psi[n];
//dist[5*Np+n] = 0.125*Psi[n];
//dist[6*Np+n] = 0.125*Psi[n];
dist[0*Np+n] = 0.25*Psi[ijk];
dist[1*Np+n] = 0.125*Psi[ijk];
dist[2*Np+n] = 0.125*Psi[ijk];
dist[3*Np+n] = 0.125*Psi[ijk];
dist[4*Np+n] = 0.125*Psi[ijk];
dist[5*Np+n] = 0.125*Psi[ijk];
dist[6*Np+n] = 0.125*Psi[ijk];
}
}
extern "C" void ScaLBL_D3Q7_Poisson_getElectricField(double *dist, double *ElectricField, double tau, int Np){
int n;
// distributions
double f1,f2,f3,f4,f5,f6;
double Ex,Ey,Ez;
double rlx=1.0/tau;
for (n=0; n<Np; n++){
//........................................................................
// Registers to store the distributions
//........................................................................
f1 = dist[Np+n];
f2 = dist[2*Np+n];
f3 = dist[3*Np+n];
f4 = dist[4*Np+n];
f5 = dist[5*Np+n];
f6 = dist[6*Np+n];
//.................Compute the Electric Field...................................
//Ex = (f1-f2)*rlx*4.5;//NOTE the unit of electric field here is V/lu
//Ey = (f3-f4)*rlx*4.5;
//Ez = (f5-f6)*rlx*4.5;
Ex = (f1-f2)*rlx*4.0;//NOTE the unit of electric field here is V/lu
Ey = (f3-f4)*rlx*4.0;
Ez = (f5-f6)*rlx*4.0;
//..................Write the Electric Field.....................................
ElectricField[0*Np+n] = Ex;
ElectricField[1*Np+n] = Ey;
ElectricField[2*Np+n] = Ez;
//........................................................................
}
}
extern "C" void ScaLBL_D3Q7_Poisson_ElectricField(int *neighborList, int *Map, signed char *ID, double *Psi, double *ElectricField, int SolidBC,
int strideY, int strideZ,int start, int finish, int Np){
int n,nn;
int ijk;
int id;
// distributions
double m1,m2,m3,m4,m5,m6,m7,m8,m9;
double m10,m11,m12,m13,m14,m15,m16,m17,m18;
double nx,ny,nz;
for (n=start; n<finish; n++){
// Get the 1D index based on regular data layout
ijk = Map[n];
// COMPUTE THE COLOR GRADIENT
//........................................................................
//.................Read Phase Indicator Values............................
//........................................................................
nn = ijk-1; // neighbor index (get convention)
id = ID[nn];
m1 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 1
//........................................................................
nn = ijk+1; // neighbor index (get convention)
id = ID[nn];
m2 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 2
//........................................................................
nn = ijk-strideY; // neighbor index (get convention)
id = ID[nn];
m3 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 3
//........................................................................
nn = ijk+strideY; // neighbor index (get convention)
id = ID[nn];
m4 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 4
//........................................................................
nn = ijk-strideZ; // neighbor index (get convention)
id = ID[nn];
m5 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 5
//........................................................................
nn = ijk+strideZ; // neighbor index (get convention)
id = ID[nn];
m6 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 6
//........................................................................
nn = ijk-strideY-1; // neighbor index (get convention)
id = ID[nn];
m7 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 7
//........................................................................
nn = ijk+strideY+1; // neighbor index (get convention)
id = ID[nn];
m8 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 8
//........................................................................
nn = ijk+strideY-1; // neighbor index (get convention)
id = ID[nn];
m9 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 9
//........................................................................
nn = ijk-strideY+1; // neighbor index (get convention)
id = ID[nn];
m10 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 10
//........................................................................
nn = ijk-strideZ-1; // neighbor index (get convention)
id = ID[nn];
m11 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 11
//........................................................................
nn = ijk+strideZ+1; // neighbor index (get convention)
id = ID[nn];
m12 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 12
//........................................................................
nn = ijk+strideZ-1; // neighbor index (get convention)
id = ID[nn];
m13 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 13
//........................................................................
nn = ijk-strideZ+1; // neighbor index (get convention)
id = ID[nn];
m14 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 14
//........................................................................
nn = ijk-strideZ-strideY; // neighbor index (get convention)
id = ID[nn];
m15 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 15
//........................................................................
nn = ijk+strideZ+strideY; // neighbor index (get convention)
id = ID[nn];
m16 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 16
//........................................................................
nn = ijk+strideZ-strideY; // neighbor index (get convention)
id = ID[nn];
m17 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 17
//........................................................................
nn = ijk-strideZ+strideY; // neighbor index (get convention)
id = ID[nn];
m18 = SolidBC==1 ? Psi[nn] : Psi[nn]*(id>0)+Psi[ijk]*(id<=0);// get neighbor for phi - 18
//............Compute the Color Gradient...................................
nx = -1.f/18.f*(m1-m2+0.5*(m7-m8+m9-m10+m11-m12+m13-m14));
ny = -1.f/18.f*(m3-m4+0.5*(m7-m8-m9+m10+m15-m16+m17-m18));
nz = -1.f/18.f*(m5-m6+0.5*(m11-m12-m13+m14+m15-m16-m17+m18));
ElectricField[n] = nx;
ElectricField[Np+n] = ny;
ElectricField[2*Np+n] = nz;
}
}